General Information of the Compound
| Compound ID |
CP0399239
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| Compound Name |
N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-4-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C26H26F3N3O
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| Molecular Weight |
453.508
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
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| InChI |
InChI=1S/C26H26F3N3O/c27-26(28,29)24-9-7-21(8-10-24)25(33)31-17-19-3-1-5-22(15-19)23-6-2-4-20(16-23)18-32-13-11-30-12-14-32/h1-10,15-16,30H,11-14,17-18H2,(H,31,33)
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| InChIKey |
YQWQPCDILQYXLD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound